ethyl 1-[(2S,4S)-1-naphthalen-2-ylsulfonyl-4-sulfanyl-pyrrolidin-2-yl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[(2S,4S)-1-naphthalen-2-ylsulfonyl-4-sulfanyl-pyrrolidin-2-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[(2S,4S)-1-(2-naphthylsulfonyl)-4-sulfanyl-pyrrolidine-2-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[(2S,4S)-4-mercapto-1-(2-naphthalenylsulfonyl)-2-pyrrolidinyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2S,4S)-1-naphthalen-2-ylsulfonyl-4-sulfanylpyrrolidine-2-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[(2S,4S)-4-mercapto-1-(2-naphthylsulfonyl)prolyl]isonipecotic acid ethyl ester Formula: C23H28N2O5S2 MolecularWeight: 476.60882

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2CC(CN2S(=O)(=O)C3=CC4=CC=CC=C4C=C3)S

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)[C@@H]2C[C@@H](CN2S(=O)(=O)C3=CC4=CC=CC=C4C=C3)S

InChI

InChI=1S/C23H28N2O5S2/c1-2-30-23(27)17-9-11-24(12-10-17)22(26)21-14-19(31)15-25(21)32(28,29)20-8-7-16-5-3-4-6-18(16)13-20/h3-8,13,17,19,21,31H,2,9-12,14-15H2,1H3/t19-,21-/m0/s1